Geometry & MOs

Info

ID:

306572

PubChem CID:

125089075

Reduced:

ClSN3O5C36H38 (1)

Stoich.:

ABC3D5E36F38 (1)

Weight, g/mol:

626.221049

ΔHf, kcal/mol:

-140.26

Dipole, Da:

5.64

IP(EA), eV:

 -8.72(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC(=CC=C2)Cl)[C@H](C)C(=O)NC3CCCC3)C4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations